2,4,5-Trimethyl-3-oxazoline

FEMA 3525 · peanut oxazole · UNII:KHQ1Z14L8P · 2,4,5-TRIMETHYLOXAZOLINE · Trimethyloxazolinecistrans · 2,4,5-trimethyl-3-oxazolin · 2,4,5-Trimethyl-3-oxazoline · 3-Oxazoline, 2,4,5-trimethyl-

https://huagongshe.com/ko/chemical/31492

식별자 및 물리적 특성

CAS No.	22694-96-8
분자식	C6H11NO
평균 분자량	113.16 g/mol
단동위원소 질량	113.08406397 g/mol
SMILES	CC1=NC(C)OC1C
InChIKey	YFSGRMONVCFYTC-UHFFFAOYSA-N
PubChem CID	31492
ChEMBL	CHEMBL3188899
ChEBI	CHEBI:173328
EC No.	607-131-8
DTXSID	DTXSID8047133

화학 및 물리적 성질

XLogP	0.5
극성 표면적	21.6
수소 결합 공여자 수	0
수소 결합 수용자 수	2
회전 가능 결합 수	0
무거운 원자 수	8
형식 전하	0
복잡도	120
식품 첨가물	FLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
밀도	0.913-0.9200,919 g/cm3
향미제	EU Flavoring substances
용해도	slightlySoluble in water, propylene glycolinsoluble in most fixed oilsSoluble (in ethanol)
끓는 점	125.00 to 127.00 °C. @ 760.00 mm Hg96-97 °C45-47°C 12mm
굴절률	1.413-1.421
Physical Description	Yellow orange liquidPowerful, musty, slight green, wood, nut aroma
FEMA	3525 \| 2,4,5-TRIMETHYL-DELTA-3-OXAZOLINE
인화점	45-47°C/12mm
pKa(산도 계수)	6.27±0.60(Predicted)
물리적 상태	liquid
냄새	디프로필렌 글리콜 중 0.10%. 곰팡내 나는 열매가 많은 야채 코코아 너트 껍질 빵 껍질 페놀 우디
향취 유형	곰팡내 나는
용해도	알코올, 고정유에 용해됩니다. 물에 불용성.
JECFA Number	1559
InChI	1S/C6H11NO/c1-4-5(2)8-6(3)7-4/h5-6H,1-3H3
InChIKey	YFSGRMONVCFYTC-UHFFFAOYSA-N
SMILES	CC1OC(C)C(C)=N1
LogP(분배 계수)	1.72

화학적 성질

Yellow-orange liquid; powerful, musty, nut-like odor. Soluble in alc, propylene glycol,water; insoluble in fixed oils.

안전 및 규제

GHS 분류	WarningH315 (97.3%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 1445 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
규제 정보	Chemical: Oxazole, 2,5-dihydro-2,4,5-trimethyl-Oxazole, 2,5-dihydro-2,4,5-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Skin Irrit. 2 (97.3%)
수질 위해 등급(WGK)	WGK 3
운송 번호(UN)	1993
독성	mouse,LD50,oral,4840mg/kg (4840mg/kg),Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.
위험 문구(R)	11-36/37/38-10
위험 표시	Xi
안전 문구(S)	3/7-9-16-29-33-37/60-26
포장분류	III
위험 등급	3Aquatic Chronic 3
저장 분류	10 - Combustible liquids

용도

출처

Reported found in boiled, cooked and heated beef, canned beef stew, fried chicken and roasted peanut.

용도

2,4,5-Trimethyl-3-oxazoline, cis + trans possesses the characteristic meat aroma hences used for flavoring application. Used as flavour enhancer in fish